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Rb(AgTe2)2

Alexandria ALEX

Alex-ID: agm096563482 · Space group: P1 (#1)

Basic Information

Formula
Rb(AgTe2)2
Alex-ID
agm096563482
Elements
3
Sites
7
Space group
P1 (#1)
Crystal system
triclinic
Volume
274.48
ų
Cell a
6.0635
Å
Cell b
6.8740
Å
Cell c
7.6467
Å
α angle
73.11
°
β angle
66.35
°
γ angle
92.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(AgTe2)2
Rb
1.00 · 14.3%
Ag
2.00 · 28.6%
Te
4.00 · 57.1%

Energy & Stability

Energy above hull
0.1012
eV/atom
Formation energy
-0.2087
eV/atom
Corrected total energy
-20.6974
eV
Raw total energy
-20.6974
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.8739
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_1571_spg8

Decomposition

Rb2Te5 RbAg3Te2 Te

Computed at

2025-04-12 08:06:42

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096563482).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm096563482
data_agm096563482
_cell_length_a     6.06354
_cell_length_b     6.87402
_cell_length_c     7.64672
_cell_angle_alpha  73.11070
_cell_angle_beta   66.34813
_cell_angle_gamma  92.66750
_cell_volume       274.47859
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Rb1 Rb 0.88616 0.64041 0.20101 1.00000
  Ag1 Ag 0.84978 0.18289 0.75139 1.00000
  Ag2 Ag 0.41849 0.94613 0.54950 1.00000
  Te1 Te 0.60487 0.79080 0.82033 1.00000
  Te2 Te 0.26344 0.30489 0.37442 1.00000
  Te3 Te 0.01225 0.60472 0.65800 1.00000
  Te4 Te 0.46501 0.03016 0.14535 1.00000
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